4,4,4-Trifluorobutyric acid
- Product Name
- 4,4,4-Trifluorobutyric acid
- CAS No.
- 406-93-9
- Chemical Name
- 4,4,4-Trifluorobutyric acid
- Synonyms
- RARECHEM AL BO 0992;4,4-Trifluorobutyric acid;4,4,4-TRIFLUOROBUTYRIC ACID;4,4,4-TRIFLUOROBUTANOIC ACID;4,4,4-Trifluorobutyricacid,97%;butanoic acid, 4,4,4-trifluoro-;4,4,4-Trifluorobutyric acid 97%;4,4,4-Trifluorobutanoic acid 97%;4,4,4-Trifluorobutyric acid, 98.0%;4,4,4-Trifluorobutyricacid,min.98%
- CBNumber
- CB8198169
- Molecular Formula
- C4H5F3O2
- Formula Weight
- 142.08
- MOL File
- 406-93-9.mol
4,4,4-Trifluorobutyric acid Property
- Melting point:
- 25-31 °C
- Boiling point:
- 166-167°C
- Density
- >1.0
- refractive index
- n20/D 1.351
- Flash point:
- 166-167°C
- storage temp.
- 2-8°C
- pka
- pK1:4.16 (25°C)
- form
- powder to lump
- color
- White to Almost white
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
- InChIKey
- WTUCTMYLCMVYEX-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCC(F)(F)F
- CAS DataBase Reference
- 406-93-9(CAS DataBase Reference)
Safety
- Hazard Codes
- C,Xi
- Risk Statements
- 34-36
- Safety Statements
- 26-36/37/39-45-20
- RIDADR
- 3265
- WGK Germany
- 3
- Hazard Note
- Corrosive
- HazardClass
- 8
- PackingGroup
- II
- HS Code
- 29159000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P310Immediately call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- CDS000911
- Product name
- 4,4,4-Trifluorobutyric acid
- Purity
- AldrichCPR
- Packaging
- 250mg
- Price
- $107
- Updated
- 2025/07/31
- Product number
- 740721
- Product name
- 4,4,4-Trifluorobutyric acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $58.6
- Updated
- 2023/06/20
- Product number
- T2670
- Product name
- 4,4,4-Trifluorobutyric Acid
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $23
- Updated
- 2025/07/31
- Product number
- T2670
- Product name
- 4,4,4-Trifluorobutyric Acid
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $52
- Updated
- 2025/07/31
- Product number
- T896470
- Product name
- 4,4,4-Trifluorobutyric Acid
- Packaging
- 10g
- Price
- $90
- Updated
- 2021/12/16
4,4,4-Trifluorobutyric acid Chemical Properties,Usage,Production
Chemical Properties
Colorless low melting solid
Uses
4,4,4-Trifluorobutyric acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Synthesis Reference(s)
Tetrahedron Letters, 30, p. 4403, 1989 DOI: 10.1016/S0040-4039(00)99372-9
Synthesis
371-26-6
406-93-9
General procedure for the synthesis of 4,4,4-trifluorobutyric acid from ethyl 4,4,4-trifluorobutyrate: a mixture of 123 g of potassium hydroxide, 900 mL of methanol, and 80 mL of water was slowly added to 160 g of ethyl 4,4,4-trifluorobutyrate under the cooling of an ice-water bath and stirring was maintained. The reaction mixture was continued to be stirred for 12 hours at room temperature. After completion of the reaction, the reaction solution was concentrated under reduced pressure to give a residue. The residue was partitioned between water and ether. The ether layer was separated and washed once with water; the aqueous layer was combined with the previously separated aqueous layer. To the combined aqueous layer, ice-cold 10% hydrochloric acid solution was added and the pH adjusted to 1. Subsequently, the acidic aqueous solution was extracted three times with ether. All ether layer extracts were combined, washed twice with brine and dried with anhydrous magnesium sulfate. After filtration, the filtrate was evaporated under reduced pressure to give 131 g of 4,4,4-trifluorobutyric acid in 98% yield.1H-NMR (CDCl3, internal standard TMS) δ values (ppm): 2.52 (m, 2H), 2.67 (t, 2H).
References
[1] Patent: US5550258, 1996, A
[2] Patent: US5653990, 1997, A
[3] Journal of Medicinal Chemistry, 1994, vol. 37, # 9, p. 1282 - 1297
[4] Patent: US5280125, 1994, A
[5] Patent: US5286740, 1994, A
4,4,4-Trifluorobutyric acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4,4,4-Trifluorobutyric acid manufacturers
- Product
- 4,4,4-Trifluorobutyric acid 406-93-9
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08
- Product
- 4,4,4-Trifluorobutyric acid 406-93-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2019-12-30